N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

C14H11ClN4O — CID 72930406

IUPACN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESClc1ccccc1-c1cc(CNc2ncccn2)on1
InChIInChI=1S/C14H11ClN4O/c15-12-5-2-1-4-11(12)13-8-10(20-19-13)9-18-14-16-6-3-7-17-14/h1-8H,9H2,(H,16,17,18)
InChIKeyBOOWPDQYLDHDIG-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.40
Rot. Bonds4

About N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine

N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (PubChem CID 72930406) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
PubChem CID72930406
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC NameN-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine
SMILESClc1ccccc1-c1cc(CNc2ncccn2)on1
InChIInChI=1S/C14H11ClN4O/c15-12-5-2-1-4-11(12)13-8-10(20-19-13)9-18-14-16-6-3-7-17-14/h1-8H,9H2,(H,16,17,18)
InChIKeyBOOWPDQYLDHDIG-UHFFFAOYSA-N
XLogP3.40
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-pyridin-2-yl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
CID 72844380
3-(2-chlorophenyl)-5-(2-methylpropyl)-1,2-oxazole
CID 173191534
5-bromo-3-(2-chlorophenyl)-1,2-oxazole
CID 84709526
3-(2-chlorophenyl)-5-fluoro-1,2-oxazole
CID 142772559
3-(2-chlorophenyl)-5-methyl-1,2-oxazole;ethane
CID 143409135
3-chloro-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]pyridin-2-amine
CID 134713419
(1S)-N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-phenyl-1-pyridin-2-ylmethanamine
CID 51645981
5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
CID 166596910
5-(2-chloroethyl)-3-(5-chloroquinolin-8-yl)-1,2-oxazole
CID 114281167
4-(2-chlorophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 17475261
N-[(2-chlorophenyl)methyl]-4-[5-[[3-[4-[(2-chlorophenyl)methylamino]phenyl]-1,2-oxazol-5-yl]methoxymethyl]-1,2-oxazol-3-yl]aniline
CID 142762944
3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one
CID 159551719

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine (CID 72930406) is N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is Clc1ccccc1-c1cc(CNc2ncccn2)on1.
What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
The InChIKey is BOOWPDQYLDHDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-12-5-2-1-4-11(12)13-8-10(20-19-13)9-18-14-16-6-3-7-17-14/h1-8H,9H2,(H,16,17,18).
What are the key properties of N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine?
N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine has a molecular weight of 286.72 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72930406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).