methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate

C18H21N3O4 — CID 3704822

IUPACmethyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C18H21N3O4/c1-24-18(23)14(10-12-6-3-2-4-7-12)20-16(22)15-11-25-17(21-15)13-8-5-9-19-13/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,20,22)
InChIKeyRCIRXQKKLODXJE-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.61
Rot. Bonds6

About methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate

methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 3704822) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID3704822
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Namemethyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C18H21N3O4/c1-24-18(23)14(10-12-6-3-2-4-7-12)20-16(22)15-11-25-17(21-15)13-8-5-9-19-13/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,20,22)
InChIKeyRCIRXQKKLODXJE-UHFFFAOYSA-N
XLogP1.61
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
ethyl 5-(diaminomethylideneamino)-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 4987379
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
methyl (2S)-2-[[(2R,3R)-2-methyl-3-pyrrolidin-2-ylbutanoyl]amino]-3-phenylpropanoate
CID 163607860
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
CID 166261288
N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3433625
(3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 14151468
methyl (2S)-2-[(3-benzyl-1,2-oxazole-5-carbonyl)amino]-3-phenylpropanoate
CID 42164387
2-cyclopropyl-N-[2-[(2-cyclopropyl-1,3-oxazole-4-carbonyl)amino]-3-phenylpropyl]-1,3-oxazole-4-carboxamide
CID 75457718

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate (CID 3704822) is methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is RCIRXQKKLODXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-18(23)14(10-12-6-3-2-4-7-12)20-16(22)15-11-25-17(21-15)13-8-5-9-19-13/h2-4,6-7,11,13-14,19H,5,8-10H2,1H3,(H,20,22).
What are the key properties of methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate?
methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 343.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 3704822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).