N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

C21H28N2O4 — CID 56760301

IUPACN-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COc2cccc(OC)c2)on1)C1CCCCCC1
InChIInChI=1S/C21H28N2O4/c1-3-23(16-9-6-4-5-7-10-16)21(24)20-14-19(27-22-20)15-26-18-12-8-11-17(13-18)25-2/h8,11-14,16H,3-7,9-10,15H2,1-2H3
InChIKeyVCSGGYFFOUMIMM-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.45
Rot. Bonds7

About N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56760301) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID56760301
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCCN(C(=O)c1cc(COc2cccc(OC)c2)on1)C1CCCCCC1
InChIInChI=1S/C21H28N2O4/c1-3-23(16-9-6-4-5-7-10-16)21(24)20-14-19(27-22-20)15-26-18-12-8-11-17(13-18)25-2/h8,11-14,16H,3-7,9-10,15H2,1-2H3
InChIKeyVCSGGYFFOUMIMM-UHFFFAOYSA-N
XLogP4.45
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-methoxyphenoxy)methyl]-N-(oxolan-2-ylmethyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 24791304
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56715383
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
CID 24817610
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26327679
3-[cyclopentyl(ethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369216
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
N,N-dicyclohexyl-5-(diethylaminomethyl)-1,2-oxazole-3-carboxamide
CID 56955976

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 56760301) is N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is CCN(C(=O)c1cc(COc2cccc(OC)c2)on1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is VCSGGYFFOUMIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-3-23(16-9-6-4-5-7-10-16)21(24)20-14-19(27-22-20)15-26-18-12-8-11-17(13-18)25-2/h8,11-14,16H,3-7,9-10,15H2,1-2H3.
What are the key properties of N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-ethyl-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56760301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).