2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide

C22H29N3O3 — CID 45179366

IUPAC2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C22H29N3O3/c1-14(2)25(13-17-9-11-20(26)23-17)22(27)16-8-10-18-19(12-16)28-21(24-18)15-6-4-3-5-7-15/h8,10,12,14-15,17H,3-7,9,11,13H2,1-2H3,(H,23,26)
InChIKeyDLKACEUBHKAMLJ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.00
Rot. Bonds5

About 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide

2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide (PubChem CID 45179366) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
PubChem CID45179366
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
SMILESCC(C)N(CC1CCC(=O)N1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1
InChIInChI=1S/C22H29N3O3/c1-14(2)25(13-17-9-11-20(26)23-17)22(27)16-8-10-18-19(12-16)28-21(24-18)15-6-4-3-5-7-15/h8,10,12,14-15,17H,3-7,9,11,13H2,1-2H3,(H,23,26)
InChIKeyDLKACEUBHKAMLJ-UHFFFAOYSA-N
XLogP4.00
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide
CID 45173436
N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-2-(3-phenylpropyl)-N-propan-2-yl-1,3-benzoxazole-5-carboxamide
CID 42515593
2-cyclohexyl-1,3-benzoxazole-6-carboxylic acid
CID 66771669
2-cyclohexyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-1,3-benzoxazole-6-carboxamide
CID 42195933
N-[[(2R)-5-oxopyrrolidin-2-yl]methyl]-N-propan-2-yl-3-(1H-pyrazol-4-yl)benzamide
CID 95226268
2-cyclohexyl-N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72904518
2-(2-cyclohexyl-1,3-benzoxazol-6-yl)acetic acid
CID 54270263
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
1-(2-cyclohexyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82299964
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-cyclohexyl-1,3-benzoxazole-6-carboxamide
CID 42596394
2-cyclohexyl-1,3-benzoxazole-5-carboxylic acid
CID 28752317

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The IUPAC name of 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide (CID 45179366) is 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide is CC(C)N(CC1CCC(=O)N1)C(=O)c1ccc2nc(C3CCCCC3)oc2c1.
What is the InChIKey of 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?
The InChIKey is DLKACEUBHKAMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(2)25(13-17-9-11-20(26)23-17)22(27)16-8-10-18-19(12-16)28-21(24-18)15-6-4-3-5-7-15/h8,10,12,14-15,17H,3-7,9,11,13H2,1-2H3,(H,23,26).
What are the key properties of 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide?
2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(5-oxopyrrolidin-2-yl)methyl]-N-propan-2-yl-1,3-benzoxazole-6-carboxamide is sourced from PubChem (CID 45179366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).