6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole

C15H14N4O — CID 116898831

IUPAC6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole
SMILESc1cc(-c2ccc3ncoc3c2)nc(C2CCNC2)n1
InChIInChI=1S/C15H14N4O/c1-2-13-14(20-9-18-13)7-10(1)12-4-6-17-15(19-12)11-3-5-16-8-11/h1-2,4,6-7,9,11,16H,3,5,8H2
InChIKeyPDNMKZSURPOCRP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds2

About 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole

6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole (PubChem CID 116898831) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole
PubChem CID116898831
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole
SMILESc1cc(-c2ccc3ncoc3c2)nc(C2CCNC2)n1
InChIInChI=1S/C15H14N4O/c1-2-13-14(20-9-18-13)7-10(1)12-4-6-17-15(19-12)11-3-5-16-8-11/h1-2,4,6-7,9,11,16H,3,5,8H2
InChIKeyPDNMKZSURPOCRP-UHFFFAOYSA-N
XLogP2.36
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzoxazol-6-yl)pyrimidin-2-amine
CID 116900490
N-[[4-(1,3-benzoxazol-6-yl)pyrimidin-2-yl]methyl]cyclopropanamine
CID 116898654
5-[2-(azetidin-3-yl)pyrimidin-4-yl]-2-methyl-1,3-benzoxazole
CID 116898738
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
4-(2-bromophenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898844
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
2-pyrrolidin-3-ylpyrimidine-4-carboxylic acid
CID 83818283
4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
6-(1H-pyrazol-4-yl)-1,3-benzoxazole
CID 67417079

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole?
The IUPAC name of 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole (CID 116898831) is 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole.
What is the SMILES notation for 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole?
The canonical SMILES for 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole is c1cc(-c2ccc3ncoc3c2)nc(C2CCNC2)n1.
What is the InChIKey of 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole?
The InChIKey is PDNMKZSURPOCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-13-14(20-9-18-13)7-10(1)12-4-6-17-15(19-12)11-3-5-16-8-11/h1-2,4,6-7,9,11,16H,3,5,8H2.
What are the key properties of 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole?
6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole has a molecular weight of 266.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-3-ylpyrimidin-4-yl)-1,3-benzoxazole is sourced from PubChem (CID 116898831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).