4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one

C13H14N2O2 — CID 138676621

IUPAC4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C13H14N2O2/c16-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8H2,(H,14,15)
InChIKeySYCSPNRFFGDMHW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.75
Rot. Bonds2

About 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one

4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one (PubChem CID 138676621) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
PubChem CID138676621
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
SMILESO=C1CCC(Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C13H14N2O2/c16-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8H2,(H,14,15)
InChIKeySYCSPNRFFGDMHW-UHFFFAOYSA-N
XLogP2.75
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-[4-(aminomethyl)cyclohexyl]-1,3-benzoxazol-2-amine
CID 70938493
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
N-(2,2-dimethyloxan-4-yl)-1,3-benzoxazol-2-amine
CID 115563724
N-[1-(cyclopropylmethyl)piperidin-4-yl]-1,3-benzoxazol-2-amine
CID 56815552
N-(1,1-dioxothian-3-yl)-1,3-benzoxazol-2-amine
CID 63923752
6-(1,3-benzoxazol-2-ylamino)-8-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-one
CID 71660771
4-(1,3-benzoxazol-2-ylamino)-1-tert-butylpyrrolidin-2-one
CID 133342194
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
2-[4-(1,3-benzoxazol-2-ylamino)cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937235
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzoxazol-2-amine
CID 133347923
4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one?
The IUPAC name of 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one (CID 138676621) is 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one is O=C1CCC(Nc2nc3ccccc3o2)CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one?
The InChIKey is SYCSPNRFFGDMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)17-13/h1-4,9H,5-8H2,(H,14,15).
What are the key properties of 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one?
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one has a molecular weight of 230.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one is sourced from PubChem (CID 138676621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).