2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide

C17H20ClN3O4 — CID 8986591

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H20ClN3O4/c1-10-4-2-3-5-12(10)19-16(23)20-15(22)9-21-13-7-6-11(18)8-14(13)25-17(21)24/h6-8,10,12H,2-5,9H2,1H3,(H2,19,20,22,23)/t10-,12-/m1/s1
InChIKeyGBHLMFGJGBELKV-ZYHUDNBSSA-N
MW365.82 g/mol
LogP2.65
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 8986591) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID8986591
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21
InChIInChI=1S/C17H20ClN3O4/c1-10-4-2-3-5-12(10)19-16(23)20-15(22)9-21-13-7-6-11(18)8-14(13)25-17(21)24/h6-8,10,12H,2-5,9H2,1H3,(H2,19,20,22,23)/t10-,12-/m1/s1
InChIKeyGBHLMFGJGBELKV-ZYHUDNBSSA-N
XLogP2.65
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide with MolForge

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7030511
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S,2R)-2-methylcyclohexyl]propanamide
CID 9273250
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
N-[(1S,2R)-2-methylcyclohexyl]-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9427764
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975
1-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]-3-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thiourea
CID 11937352
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate
CID 55310892
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539348
N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539350
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7046162
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(5-oxo-3-pyridin-2-yl-1,2,4-oxadiazol-4-yl)acetamide
CID 52539349

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 8986591) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1c(=O)oc2cc(Cl)ccc21.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is GBHLMFGJGBELKV-ZYHUDNBSSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-10-4-2-3-5-12(10)19-16(23)20-15(22)9-21-13-7-6-11(18)8-14(13)25-17(21)24/h6-8,10,12H,2-5,9H2,1H3,(H2,19,20,22,23)/t10-,12-/m1/s1.
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 365.82 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 8986591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).