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

C14H12ClN5O — CID 134704491

IUPAC5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)c1ncc(Cl)cn1
InChIInChI=1S/C14H12ClN5O/c1-20(14-17-7-10(15)8-18-14)9-11-6-13(19-21-11)12-4-2-3-5-16-12/h2-8H,9H2,1H3
InChIKeyNYEIAESPMJDARU-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.82
Rot. Bonds4

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

5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 134704491) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID134704491
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine
SMILESCN(Cc1cc(-c2ccccn2)no1)c1ncc(Cl)cn1
InChIInChI=1S/C14H12ClN5O/c1-20(14-17-7-10(15)8-18-14)9-11-6-13(19-21-11)12-4-2-3-5-16-12/h2-8H,9H2,1H3
InChIKeyNYEIAESPMJDARU-UHFFFAOYSA-N
XLogP2.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 50967386
N,2,5-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
CID 72871521
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 134713150
N-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 77084858
N-methyl-1-phenyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]methanesulfonamide
CID 131893335
N-methyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 135116476
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methyl-1-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanamine
CID 74243670
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-3-azaspiro[5.5]undecan-9-amine
CID 56717670
N-methyl-1-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrazole-4-sulfonamide
CID 131939149
N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 131925280
N,1,3-trimethyl-2,6-dioxo-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 72863128
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine (CID 134704491) is 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is CN(Cc1cc(-c2ccccn2)no1)c1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is NYEIAESPMJDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20(14-17-7-10(15)8-18-14)9-11-6-13(19-21-11)12-4-2-3-5-16-12/h2-8H,9H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 301.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 134704491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).