5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one

C13H17N3O2 — CID 79458762

IUPAC5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNC1CCCC(Nc2ccc3oc(=O)[nH]c3c2)C1
InChIInChI=1S/C13H17N3O2/c14-8-2-1-3-9(6-8)15-10-4-5-12-11(7-10)16-13(17)18-12/h4-5,7-9,15H,1-3,6,14H2,(H,16,17)
InChIKeyIBLVPMZNSULFBN-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.80
Rot. Bonds2

About 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one

5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 79458762) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID79458762
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one
SMILESNC1CCCC(Nc2ccc3oc(=O)[nH]c3c2)C1
InChIInChI=1S/C13H17N3O2/c14-8-2-1-3-9(6-8)15-10-4-5-12-11(7-10)16-13(17)18-12/h4-5,7-9,15H,1-3,6,14H2,(H,16,17)
InChIKeyIBLVPMZNSULFBN-UHFFFAOYSA-N
XLogP1.80
TPSA84.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-[(2-methylcyclopentyl)amino]-3H-1,3-benzoxazol-2-one
CID 65044585
5-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-3H-1,3-benzoxazol-2-one
CID 106658517
5-[[(1S,2R)-2-methylcyclohexyl]amino]-3H-1,3-benzoxazol-2-one
CID 93275329
5-[(1,5-dimethylpyrrolidin-3-yl)amino]-3H-1,3-benzoxazol-2-one
CID 81466348
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119709874
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
5-(1-cyclopropylpropan-2-ylamino)-3H-1,3-benzoxazol-2-one
CID 113489813
5-(oxolan-2-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 82835738
2-amino-1-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 82764078
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
5-[(1,2,5-trimethylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 43741600

Frequently Asked Questions

What is the IUPAC name of 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one (CID 79458762) is 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one is NC1CCCC(Nc2ccc3oc(=O)[nH]c3c2)C1.
What is the InChIKey of 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is IBLVPMZNSULFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-8-2-1-3-9(6-8)15-10-4-5-12-11(7-10)16-13(17)18-12/h4-5,7-9,15H,1-3,6,14H2,(H,16,17).
What are the key properties of 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one?
5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-aminocyclohexyl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 79458762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).