N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide

C15H18N2O3 — CID 112528197

IUPACN-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14(18)17-15-16-12-4-2-3-5-13(12)20-15/h2-5,10-11H,6-9H2,1H3,(H,16,17,18)
InChIKeyHMRLNZSOHNFYHD-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.97
Rot. Bonds3

About N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide

N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide (PubChem CID 112528197) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide
PubChem CID112528197
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)Nc2nc3ccccc3o2)CC1
InChIInChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14(18)17-15-16-12-4-2-3-5-13(12)20-15/h2-5,10-11H,6-9H2,1H3,(H,16,17,18)
InChIKeyHMRLNZSOHNFYHD-UHFFFAOYSA-N
XLogP2.97
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 112525589
N-(3-methoxycyclobutyl)-1,3-benzoxazol-2-amine
CID 104576711
N-[3-(1,3-benzoxazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 3533680
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
4-(1,3-benzoxazol-2-ylamino)cyclohexan-1-one
CID 138676621
tert-butyl 4-(1,3-benzoxazol-2-ylamino)piperidine-1-carboxylate
CID 71629873
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
ethyl 4-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 24599468
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N-(4-bromophenyl)-4-methoxycyclohexane-1-carboxamide
CID 112520991
tert-butyl N-[4-[(5-chloro-1,3-benzoxazol-2-yl)carbamoyl]cyclohexyl]carbamate
CID 166158864

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide (CID 112528197) is N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)Nc2nc3ccccc3o2)CC1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide?
The InChIKey is HMRLNZSOHNFYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14(18)17-15-16-12-4-2-3-5-13(12)20-15/h2-5,10-11H,6-9H2,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide?
N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 112528197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).