ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate

C18H20N2O5 — CID 145303860

IUPACethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate
SMILESC=CCC(C(=O)OCC)c1ncc(-c2ccc(NC(=O)OC)cc2)o1
InChIInChI=1S/C18H20N2O5/c1-4-6-14(17(21)24-5-2)16-19-11-15(25-16)12-7-9-13(10-8-12)20-18(22)23-3/h4,7-11,14H,1,5-6H2,2-3H3,(H,20,22)
InChIKeyZDHJSOPJJSRCIX-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.74
Rot. Bonds7

About ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate

ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate (PubChem CID 145303860) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate.

Molecular Properties

Compound Nameethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate
PubChem CID145303860
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Nameethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate
SMILESC=CCC(C(=O)OCC)c1ncc(-c2ccc(NC(=O)OC)cc2)o1
InChIInChI=1S/C18H20N2O5/c1-4-6-14(17(21)24-5-2)16-19-11-15(25-16)12-7-9-13(10-8-12)20-18(22)23-3/h4,7-11,14H,1,5-6H2,2-3H3,(H,20,22)
InChIKeyZDHJSOPJJSRCIX-UHFFFAOYSA-N
XLogP3.74
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]carbamate
CID 78903690
ethyl N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]carbamate
CID 110660779
butane;methyl N-(4-methylphenyl)carbamate
CID 155739087
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]prop-2-enamide
CID 166405051
2-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pentanamide
CID 119279222
ethyl 2-[4-[2-(but-3-enoylamino)-4-(methoxycarbonylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]pent-4-enoate
CID 140936903
2-[2-[2-amino-4-(methoxycarbonylamino)phenyl]-4-pyridinyl]pent-4-enoic acid
CID 129080451
butyl N-[4-[4-(butoxycarbonylamino)phenyl]phenyl]carbamate
CID 70896336
3-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]butanamide;hydrochloride
CID 119704493
[4-(2-methyl-1,3-oxazol-5-yl)phenyl]thiourea
CID 86632608
methyl N-[4-(2-ethyl-4-pyridinyl)phenyl]carbamate
CID 71064947
1-[4-(ethoxycarbonylamino)anilino]ethylidene-bis(prop-2-enyl)azanium
CID 21440482

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate?
The IUPAC name of ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate (CID 145303860) is ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate.
What is the SMILES notation for ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate?
The canonical SMILES for ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate is C=CCC(C(=O)OCC)c1ncc(-c2ccc(NC(=O)OC)cc2)o1.
What is the InChIKey of ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate?
The InChIKey is ZDHJSOPJJSRCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-6-14(17(21)24-5-2)16-19-11-15(25-16)12-7-9-13(10-8-12)20-18(22)23-3/h4,7-11,14H,1,5-6H2,2-3H3,(H,20,22).
What are the key properties of ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate?
ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate has a molecular weight of 344.37 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[4-(methoxycarbonylamino)phenyl]-1,3-oxazol-2-yl]pent-4-enoate is sourced from PubChem (CID 145303860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).