5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine

C17H11ClN4O — CID 3316480

IUPAC5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1
InChIInChI=1S/C17H11ClN4O/c18-12-5-1-2-6-13(12)22-17-19-9-11(10-20-17)16-21-14-7-3-4-8-15(14)23-16/h1-10H,(H,19,20,22)
InChIKeyDXSQRIPVHSCQTO-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.68
Rot. Bonds3

About 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine

5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine (PubChem CID 3316480) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine
PubChem CID3316480
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine
SMILESClc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1
InChIInChI=1S/C17H11ClN4O/c18-12-5-1-2-6-13(12)22-17-19-9-11(10-20-17)16-21-14-7-3-4-8-15(14)23-16/h1-10H,(H,19,20,22)
InChIKeyDXSQRIPVHSCQTO-UHFFFAOYSA-N
XLogP4.68
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[[5-(5-chloro-1,3-benzoxazol-2-yl)pyrimidin-2-yl]amino]phenol
CID 27101988
2-(3,4,5-trichlorophenyl)-1,3-benzoxazole
CID 50849649
2-(2-chlorophenyl)-1,3-benzoxazole
CID 3014177
5-(6-methoxy-1,3-benzoxazol-2-yl)-N-phenylpyrimidin-2-amine
CID 59203844
2-[3,5-bis[3,5-di(quinolin-3-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58479999
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888
2-(5-phenyl-2-pyridinyl)-1,3-benzoxazole
CID 169047262
5-(1,3-benzoxazol-2-yl)-2-propan-2-ylpyridin-3-ol
CID 168882947
2-pyridin-4-yl-1,3-benzoxazole
CID 16804
5-(5-chloro-1,3-benzoxazol-2-yl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 5184898
2-[3-(3-chlorophenyl)phenyl]-1,3-benzoxazole
CID 166583056
2-N,4-N-bis(2-chlorophenyl)-5-methylpyrimidine-2,4-diamine
CID 5271601

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine (CID 3316480) is 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine is Clc1ccccc1Nc1ncc(-c2nc3ccccc3o2)cn1.
What is the InChIKey of 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine?
The InChIKey is DXSQRIPVHSCQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-12-5-1-2-6-13(12)22-17-19-9-11(10-20-17)16-21-14-7-3-4-8-15(14)23-16/h1-10H,(H,19,20,22).
What are the key properties of 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine?
5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine has a molecular weight of 322.76 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzoxazol-2-yl)-N-(2-chlorophenyl)pyrimidin-2-amine is sourced from PubChem (CID 3316480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).