3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

C20H21N3O4 — CID 75131700

IUPAC3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3nc4ccccc4o3)C2)cc(OC)c1
InChIInChI=1S/C20H21N3O4/c1-25-15-9-14(10-16(11-15)26-2)21-20(24)23-8-7-13(12-23)19-22-17-5-3-4-6-18(17)27-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,24)
InChIKeyBZAJAXFXGBUHCM-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.87
Rot. Bonds4

About 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide

3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 75131700) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID75131700
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(c3nc4ccccc4o3)C2)cc(OC)c1
InChIInChI=1S/C20H21N3O4/c1-25-15-9-14(10-16(11-15)26-2)21-20(24)23-8-7-13(12-23)19-22-17-5-3-4-6-18(17)27-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,24)
InChIKeyBZAJAXFXGBUHCM-UHFFFAOYSA-N
XLogP3.87
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 51231314
4-(1,3-benzoxazol-2-yl)-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 1429802
4-(1,3-benzoxazol-2-yl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 644531
methyl 3-[[(3S)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]amino]-4-fluorobenzoate
CID 94166013
4-(1,3-benzoxazol-2-yl)-N-[2-(2-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 86912723
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
4-(1,3-benzoxazol-2-yl)-N-(3-methoxypropyl)piperidine-1-carboxamide
CID 18532742
ethyl 2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoacetate
CID 21007968
[3-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 75131651
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78866460
N-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375501
methyl 5-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]thiophene-2-carboxylate
CID 35186967

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide (CID 75131700) is 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is COc1cc(NC(=O)N2CCC(c3nc4ccccc4o3)C2)cc(OC)c1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is BZAJAXFXGBUHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-9-14(10-16(11-15)26-2)21-20(24)23-8-7-13(12-23)19-22-17-5-3-4-6-18(17)27-19/h3-6,9-11,13H,7-8,12H2,1-2H3,(H,21,24).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide?
3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75131700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).