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

C12H18N2O3 — CID 65123055

IUPACN-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccno1
InChIInChI=1S/C12H18N2O3/c15-11(10-5-8-14-17-10)13-9-12(16)6-3-1-2-4-7-12/h5,8,16H,1-4,6-7,9H2,(H,13,15)
InChIKeyFTVRJJAZARNBBE-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.49
Rot. Bonds3

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

N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 65123055) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID65123055
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccno1
InChIInChI=1S/C12H18N2O3/c15-11(10-5-8-14-17-10)13-9-12(16)6-3-1-2-4-7-12/h5,8,16H,1-4,6-7,9H2,(H,13,15)
InChIKeyFTVRJJAZARNBBE-UHFFFAOYSA-N
XLogP1.49
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64866996
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(3-methyloxetan-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 115825220
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-[(1-hydroxycycloheptyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 65122812
5-ethyl-N-[(1-hydroxycyclohexyl)methyl]furan-2-carboxamide
CID 64868940
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
2,3-difluoro-N-[(1-hydroxycycloheptyl)methyl]pyridine-4-carboxamide
CID 105381317
N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368018
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
7-fluoro-N-[(1-hydroxycyclohexyl)methyl]-1-benzofuran-2-carboxamide
CID 111485827

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide (CID 65123055) is N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide is O=C(NCC1(O)CCCCCC1)c1ccno1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is FTVRJJAZARNBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-11(10-5-8-14-17-10)13-9-12(16)6-3-1-2-4-7-12/h5,8,16H,1-4,6-7,9H2,(H,13,15).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 65123055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).