N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C23H25N3O4 — CID 46424665

IUPACN-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-12-15(5-10-19(18)30-22)24-21(28)14-11-20(27)26(13-14)16-6-8-17(29-4)9-7-16/h5-10,12,14H,11,13H2,1-4H3,(H,24,28)
InChIKeyLAGRHEHUJXALBQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.13
Rot. Bonds4

About N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46424665) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46424665
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2=O)cc1
InChIInChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-12-15(5-10-19(18)30-22)24-21(28)14-11-20(27)26(13-14)16-6-8-17(29-4)9-7-16/h5-10,12,14H,11,13H2,1-4H3,(H,24,28)
InChIKeyLAGRHEHUJXALBQ-UHFFFAOYSA-N
XLogP4.13
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-1,3-benzoxazol-5-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46424582
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(4-methoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 46569122
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55620201
N-(3-amino-4-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119420414
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46424665) is N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)CC2=O)cc1.
What is the InChIKey of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LAGRHEHUJXALBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-23(2,3)22-25-18-12-15(5-10-19(18)30-22)24-21(28)14-11-20(27)26(13-14)16-6-8-17(29-4)9-7-16/h5-10,12,14H,11,13H2,1-4H3,(H,24,28).
What are the key properties of N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46424665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).