N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

C15H18ClN3O2 — CID 99773997

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H18ClN3O2/c1-9(2)14-12(17-8-21-14)15(20)18-11-7-5-6-10(16)13(11)19(3)4/h5-9H,1-4H3,(H,18,20)
InChIKeyQTOUEROEIGUPNJ-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.77
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 99773997) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID99773997
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)Nc1cccc(Cl)c1N(C)C
InChIInChI=1S/C15H18ClN3O2/c1-9(2)14-12(17-8-21-14)15(20)18-11-7-5-6-10(16)13(11)19(3)4/h5-9H,1-4H3,(H,18,20)
InChIKeyQTOUEROEIGUPNJ-UHFFFAOYSA-N
XLogP3.77
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]pyridine-4-carboxamide
CID 103752467
3,5-dibromo-N-[3-chloro-2-(dimethylamino)phenyl]benzamide
CID 107980200
N-[3-chloro-2-(dimethylamino)phenyl]-5-methylthiophene-2-carboxamide
CID 46485504
N-[3-chloro-2-(dimethylamino)phenyl]-4-(difluoromethoxy)benzamide
CID 46458023
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
2-bromo-N-[3-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 114327743
N-[3-chloro-2-(dimethylamino)phenyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55763182
N-[3-chloro-2-(dimethylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60853978
N-(2-chlorophenyl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347232
N-[3-chloro-2-(dimethylamino)phenyl]but-2-enamide
CID 112729328
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
(2S,3S)-2-amino-N-[3-chloro-2-(dimethylamino)phenyl]-3-methylpentanamide
CID 61154949

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 99773997) is N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)Nc1cccc(Cl)c1N(C)C.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QTOUEROEIGUPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(2)14-12(17-8-21-14)15(20)18-11-7-5-6-10(16)13(11)19(3)4/h5-9H,1-4H3,(H,18,20).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 99773997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).