N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide

C18H22N2O3 — CID 111428596

IUPACN-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C18H22N2O3/c21-17(20-12-18(22)9-3-1-2-4-10-18)15-7-5-14(6-8-15)16-11-19-13-23-16/h5-8,11,13,22H,1-4,9-10,12H2,(H,20,21)
InChIKeyJDSLFQMKAYUXQN-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.16
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide

N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 111428596) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID111428596
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide
SMILESO=C(NCC1(O)CCCCCC1)c1ccc(-c2cnco2)cc1
InChIInChI=1S/C18H22N2O3/c21-17(20-12-18(22)9-3-1-2-4-10-18)15-7-5-14(6-8-15)16-11-19-13-23-16/h5-8,11,13,22H,1-4,9-10,12H2,(H,20,21)
InChIKeyJDSLFQMKAYUXQN-UHFFFAOYSA-N
XLogP3.16
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxythiolan-3-yl)methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 111596930
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-4-(1,3-oxazol-5-yl)benzamide
CID 95177148
1-[[4-(1,3-oxazol-5-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 71938400
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
N-[(1-hydroxycycloheptyl)methyl]-4-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 111539002
N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 111744569
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
2-chloro-N-[(1-hydroxycyclohexyl)methyl]furan-3-carboxamide
CID 106686927

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide (CID 111428596) is N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide is O=C(NCC1(O)CCCCCC1)c1ccc(-c2cnco2)cc1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is JDSLFQMKAYUXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-17(20-12-18(22)9-3-1-2-4-10-18)15-7-5-14(6-8-15)16-11-19-13-23-16/h5-8,11,13,22H,1-4,9-10,12H2,(H,20,21).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide?
N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 314.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 111428596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).