methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate

C29H24N2O5 — CID 71267067

IUPACmethyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#Cc2ccc3cc(-c4onc(C)c4NC(=O)OCc4ccccc4)ccc3c2)CC1
InChIInChI=1S/C29H24N2O5/c1-19-25(30-28(33)35-18-21-6-4-3-5-7-21)26(36-31-19)24-11-10-22-16-20(8-9-23(22)17-24)12-13-29(14-15-29)27(32)34-2/h3-11,16-17H,14-15,18H2,1-2H3,(H,30,33)
InChIKeyWHHFHJPOGNDBDJ-UHFFFAOYSA-N
MW480.52 g/mol
LogP5.86
Rot. Bonds5

About methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate

methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate (PubChem CID 71267067) has the molecular formula C29H24N2O5 and a molecular weight of 480.52 g/mol. Its IUPAC name is methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate
PubChem CID71267067
Molecular FormulaC29H24N2O5
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC Namemethyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#Cc2ccc3cc(-c4onc(C)c4NC(=O)OCc4ccccc4)ccc3c2)CC1
InChIInChI=1S/C29H24N2O5/c1-19-25(30-28(33)35-18-21-6-4-3-5-7-21)26(36-31-19)24-11-10-22-16-20(8-9-23(22)17-24)12-13-29(14-15-29)27(32)34-2/h3-11,16-17H,14-15,18H2,1-2H3,(H,30,33)
InChIKeyWHHFHJPOGNDBDJ-UHFFFAOYSA-N
XLogP5.86
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[3-methyl-5-[6-[2-(1-methylcyclopropyl)ethynyl]naphthalen-2-yl]-1,2-oxazol-4-yl]carbamate
CID 89449041
5-[6-[2-(1-carboxycyclopropyl)ethynyl]naphthalen-2-yl]-3-methyl-1,2-oxazole-4-carboxylic acid
CID 71265445
benzyl N-[5-[2-(3H-inden-5-yl)ethynyl]-3-methyl-1,2-oxazol-4-yl]carbamate
CID 157073784
[5-[4-(methoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68885549
1-[4-[4-[4-[2-(4-methoxyphenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67479465
[5-(6-bromonaphthalen-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 123178484
3-[[4-[4-[(2-bromophenyl)methoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]methyl]benzoic acid
CID 68756732
ethyl 1-[4-[4-[3-methyl-4-(2-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopentane-1-carboxylate
CID 67479593
1-[2-[2-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
CID 71266146
cis-methyl (1S,2S)-2-[[2-methyl-6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]-3-pyridinyl]oxymethyl]cyclohexane-1-carboxylate
CID 175909967
[5-[3-(ethoxymethyl)phenyl]-3-methyl-1,2-oxazol-4-yl]carbamic acid
CID 68884953
acetylene;benzyl N-[5-[4-[5-(3-hydroxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl]-3-methyl-1,2-oxazol-4-yl]carbamate;formaldehyde
CID 144672039

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate (CID 71267067) is methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate is COC(=O)C1(C#Cc2ccc3cc(-c4onc(C)c4NC(=O)OCc4ccccc4)ccc3c2)CC1.
What is the InChIKey of methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate?
The InChIKey is WHHFHJPOGNDBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O5/c1-19-25(30-28(33)35-18-21-6-4-3-5-7-21)26(36-31-19)24-11-10-22-16-20(8-9-23(22)17-24)12-13-29(14-15-29)27(32)34-2/h3-11,16-17H,14-15,18H2,1-2H3,(H,30,33).
What are the key properties of methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate?
methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate has a molecular weight of 480.52 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[6-[3-methyl-4-(phenylmethoxycarbonylamino)-1,2-oxazol-5-yl]naphthalen-2-yl]ethynyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 71267067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).