N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide

C11H16N2O3 — CID 64928484

IUPACN-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccno1
InChIInChI=1S/C11H16N2O3/c14-9-4-2-1-3-8(9)7-12-11(15)10-5-6-13-16-10/h5-6,8-9,14H,1-4,7H2,(H,12,15)
InChIKeySMTXMDPFFZXSNB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.96
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 64928484) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID64928484
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCCC1O)c1ccno1
InChIInChI=1S/C11H16N2O3/c14-9-4-2-1-3-8(9)7-12-11(15)10-5-6-13-16-10/h5-6,8-9,14H,1-4,7H2,(H,12,15)
InChIKeySMTXMDPFFZXSNB-UHFFFAOYSA-N
XLogP0.96
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[(2-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64929693
4-chloro-3-fluoro-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]pyridine-2-carboxamide
CID 99778357
3-amino-N-[(2-hydroxycyclohexyl)methyl]pyrazine-2-carboxamide
CID 119137849
N-[(2-hydroxycyclohexyl)methyl]-4-sulfanylbenzamide
CID 107031044
4-chloro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 13427946
3,4,5-trifluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64910898
3-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 82828909
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
3-butan-2-yl-N-[(2-hydroxycyclopentyl)methyl]-1,2-oxazole-5-carboxamide
CID 111471313
N-(4-hydroxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 43389643
N-[(2-hydroxycyclohexyl)methyl]-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66156374
N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-2-methylbenzamide
CID 70846071

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide (CID 64928484) is N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1CCCCC1O)c1ccno1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is SMTXMDPFFZXSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-4-2-1-3-8(9)7-12-11(15)10-5-6-13-16-10/h5-6,8-9,14H,1-4,7H2,(H,12,15).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 64928484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).