N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

C15H12BrN5O2 — CID 109270417

IUPACN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15-17-7-10(8-18-15)14(22)19-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,19,22)(H,17,18,20,21)
InChIKeyYGEQBGWMODZICK-UHFFFAOYSA-N
MW374.20 g/mol
LogP3.53
Rot. Bonds4

About N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide

N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (PubChem CID 109270417) has the molecular formula C15H12BrN5O2 and a molecular weight of 374.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
PubChem CID109270417
Molecular FormulaC15H12BrN5O2
Molecular Weight374.20 g/mol
Exact Mass373.02
IUPAC NameN-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
SMILESCc1cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)no1
InChIInChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15-17-7-10(8-18-15)14(22)19-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,19,22)(H,17,18,20,21)
InChIKeyYGEQBGWMODZICK-UHFFFAOYSA-N
XLogP3.53
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.20
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270430
N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266961
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397
N-(3,5-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270635
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109010783
5-(2-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294393
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270671
2-(2-bromoanilino)-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266734
2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109268924
ethyl 4-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carbonyl]amino]benzoate
CID 109270516
N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109163149

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide (CID 109270417) is N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is Cc1cc(Nc2ncc(C(=O)Nc3ccccc3Br)cn2)no1.
What is the InChIKey of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is YGEQBGWMODZICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN5O2/c1-9-6-13(21-23-9)20-15-17-7-10(8-18-15)14(22)19-12-5-3-2-4-11(12)16/h2-8H,1H3,(H,19,22)(H,17,18,20,21).
What are the key properties of N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide?
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 374.20 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109270417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).