N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide

C21H22N2O4 — CID 56714469

IUPACN-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2ccc(OCc3nc(C(=O)N(C)CC4CC4)co3)cc2c1
InChIInChI=1S/C21H22N2O4/c1-23(11-14-3-4-14)21(24)19-12-27-20(22-19)13-26-18-8-6-15-5-7-17(25-2)9-16(15)10-18/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyFNLACOGRBOQMOP-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.90
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide

N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide (PubChem CID 56714469) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
PubChem CID56714469
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide
SMILESCOc1ccc2ccc(OCc3nc(C(=O)N(C)CC4CC4)co3)cc2c1
InChIInChI=1S/C21H22N2O4/c1-23(11-14-3-4-14)21(24)19-12-27-20(22-19)13-26-18-8-6-15-5-7-17(25-2)9-16(15)10-18/h5-10,12,14H,3-4,11,13H2,1-2H3
InChIKeyFNLACOGRBOQMOP-UHFFFAOYSA-N
XLogP3.90
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 95230039
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56700894
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 56708039
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42529315
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
[(3R)-3-ethylpiperazin-1-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95217264
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
2-[(4-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42519824
N-[(3-chlorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 25374266
[(3S)-3-(hydroxymethyl)morpholin-4-yl]-[2-[(7-methoxynaphthalen-2-yl)oxymethyl]-1,3-oxazol-4-yl]methanone
CID 95219193
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide (CID 56714469) is N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide is COc1ccc2ccc(OCc3nc(C(=O)N(C)CC4CC4)co3)cc2c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FNLACOGRBOQMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23(11-14-3-4-14)21(24)19-12-27-20(22-19)13-26-18-8-6-15-5-7-17(25-2)9-16(15)10-18/h5-10,12,14H,3-4,11,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56714469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).