N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide

C14H15ClN2O3 — CID 110685071

IUPACN-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C14H15ClN2O3/c1-8(2)12-13(20-7-16-12)14(18)17-10-6-9(15)4-5-11(10)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyVTOCXHASRBSDFE-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.71
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 110685071) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID110685071
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ocnc1C(C)C
InChIInChI=1S/C14H15ClN2O3/c1-8(2)12-13(20-7-16-12)14(18)17-10-6-9(15)4-5-11(10)19-3/h4-8H,1-3H3,(H,17,18)
InChIKeyVTOCXHASRBSDFE-UHFFFAOYSA-N
XLogP3.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110859594
N-(5-chloro-2-methoxyphenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179760
N-(5-chloro-2-methoxyphenyl)-5-naphthalen-2-yl-1,3-oxazole-4-carboxamide
CID 6489760
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
N-(5-chloro-2-methoxyphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253345
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide (CID 110685071) is N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ocnc1C(C)C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is VTOCXHASRBSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8(2)12-13(20-7-16-12)14(18)17-10-6-9(15)4-5-11(10)19-3/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110685071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).