N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H21N3O3 — CID 90595310

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1
InChIInChI=1S/C21H21N3O3/c1-26-18-11-12-24(14-18)17-9-7-16(8-10-17)22-21(25)19-13-20(27-23-19)15-5-3-2-4-6-15/h2-10,13,18H,11-12,14H2,1H3,(H,22,25)
InChIKeyCWGPBKNFKGBRPQ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.82
Rot. Bonds5

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 90595310) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID90595310
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1
InChIInChI=1S/C21H21N3O3/c1-26-18-11-12-24(14-18)17-9-7-16(8-10-17)22-21(25)19-13-20(27-23-19)15-5-3-2-4-6-15/h2-10,13,18H,11-12,14H2,1H3,(H,22,25)
InChIKeyCWGPBKNFKGBRPQ-UHFFFAOYSA-N
XLogP3.82
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
N-[4-(4-methoxypiperidin-1-yl)phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 90595800
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2,6-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 90595303
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 56557476
3-(3-methoxyphenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 90595519
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-1H-indole-3-carboxamide
CID 72719161
N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 90595803
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-3,4-dimethylbenzamide
CID 90595480
N-[4-[(3R)-3-methoxypyrrolidin-1-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 97427587
N-[4-[(3S)-3-methoxypyrrolidin-1-yl]phenyl]cyclopropanecarboxamide
CID 97427532
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 90595310) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is COC1CCN(c2ccc(NC(=O)c3cc(-c4ccccc4)on3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is CWGPBKNFKGBRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-18-11-12-24(14-18)17-9-7-16(8-10-17)22-21(25)19-13-20(27-23-19)15-5-3-2-4-6-15/h2-10,13,18H,11-12,14H2,1H3,(H,22,25).
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90595310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).