2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

C17H19N3O4 — CID 121110596

IUPAC2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2coc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-4-2-3-11(9-13)7-8-18-16(22)14-10-24-17(19-14)20-15(21)12-5-6-12/h2-4,9-10,12H,5-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyZLXASBORMHZCMY-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.00
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 121110596) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID121110596
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2coc(NC(=O)C3CC3)n2)c1
InChIInChI=1S/C17H19N3O4/c1-23-13-4-2-3-11(9-13)7-8-18-16(22)14-10-24-17(19-14)20-15(21)12-5-6-12/h2-4,9-10,12H,5-8H2,1H3,(H,18,22)(H,19,20,21)
InChIKeyZLXASBORMHZCMY-UHFFFAOYSA-N
XLogP2.00
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3801530
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
2-(cyclopropanecarbonylamino)-N-methoxy-1,3-oxazole-4-carboxamide
CID 56765163
N-[5-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]cyclopropanecarboxamide
CID 113028392
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
2-(cyclopropanecarbonylamino)-N-[3-(difluoromethoxy)phenyl]-1,3-oxazole-4-carboxamide
CID 71788429
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
4-(cyclopentylamino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204211
5-(cyclopropanecarbonylamino)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-3-carboxamide
CID 51998610

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 121110596) is 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is COc1cccc(CCNC(=O)c2coc(NC(=O)C3CC3)n2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZLXASBORMHZCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-13-4-2-3-11(9-13)7-8-18-16(22)14-10-24-17(19-14)20-15(21)12-5-6-12/h2-4,9-10,12H,5-8H2,1H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121110596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).