(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

C19H21N7O2 — CID 122344801

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2cc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)ncn2)n1
InChIInChI=1S/C19H21N7O2/c1-13-4-5-26(22-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19(27)15-10-16(28-23-15)14-2-3-14/h4-5,10-12,14H,2-3,6-9H2,1H3
InChIKeyXCTMPRSERMTCIU-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.80
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 122344801) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID122344801
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1ccn(-c2cc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)ncn2)n1
InChIInChI=1S/C19H21N7O2/c1-13-4-5-26(22-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19(27)15-10-16(28-23-15)14-2-3-14/h4-5,10-12,14H,2-3,6-9H2,1H3
InChIKeyXCTMPRSERMTCIU-UHFFFAOYSA-N
XLogP1.80
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906
[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122344738
2,2-dimethyl-1-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70704009
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334382
(2-methylphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70704010
(4-chlorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 56923029
(2-fluorophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703320
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333056
1,3-benzodioxol-5-yl-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 70703906
(3-bromophenyl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122344973
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332324
[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone
CID 122344980

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 122344801) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1ccn(-c2cc(N3CCN(C(=O)c4cc(C5CC5)on4)CC3)ncn2)n1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is XCTMPRSERMTCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-13-4-5-26(22-13)18-11-17(20-12-21-18)24-6-8-25(9-7-24)19(27)15-10-16(28-23-15)14-2-3-14/h4-5,10-12,14H,2-3,6-9H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 379.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122344801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).