N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

C24H27N3O3 — CID 66685645

IUPACN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESCn1c(=O)oc2ccc(N(C(=O)C3CC3)[C@H](CN3CCCC3)c3ccccc3)cc21
InChIInChI=1S/C24H27N3O3/c1-25-20-15-19(11-12-22(20)30-24(25)29)27(23(28)18-9-10-18)21(16-26-13-5-6-14-26)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18,21H,5-6,9-10,13-14,16H2,1H3/t21-/m1/s1
InChIKeyIJZBTZXISOXGEL-OAQYLSRUSA-N
MW405.50 g/mol
LogP3.71
Rot. Bonds6

About N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide

N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (PubChem CID 66685645) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
PubChem CID66685645
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
SMILESCn1c(=O)oc2ccc(N(C(=O)C3CC3)[C@H](CN3CCCC3)c3ccccc3)cc21
InChIInChI=1S/C24H27N3O3/c1-25-20-15-19(11-12-22(20)30-24(25)29)27(23(28)18-9-10-18)21(16-26-13-5-6-14-26)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18,21H,5-6,9-10,13-14,16H2,1H3/t21-/m1/s1
InChIKeyIJZBTZXISOXGEL-OAQYLSRUSA-N
XLogP3.71
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide;sulfane
CID 159525271
2-(5-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[(1R)-1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 57488834
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839
N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-9H-xanthene-9-carboxamide
CID 67673330
2-(5-methoxy-2-oxo-1,3-benzoxazol-3-yl)-N-methyl-N-[1-(4-phenylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 57488842
N,1-dimethyl-5-oxo-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 86268865
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110244360
5-(2-amino-1-phenylethyl)-3-methyl-1,3-benzoxazol-2-one
CID 82501887
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660
N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-piperidin-1-ylethyl]acetamide
CID 86268866

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide (CID 66685645) is N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is Cn1c(=O)oc2ccc(N(C(=O)C3CC3)[C@H](CN3CCCC3)c3ccccc3)cc21.
What is the InChIKey of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
The InChIKey is IJZBTZXISOXGEL-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-25-20-15-19(11-12-22(20)30-24(25)29)27(23(28)18-9-10-18)21(16-26-13-5-6-14-26)17-7-3-2-4-8-17/h2-4,7-8,11-12,15,18,21H,5-6,9-10,13-14,16H2,1H3/t21-/m1/s1.
What are the key properties of N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide?
N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide is sourced from PubChem (CID 66685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).