(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone

C16H21N5O3 — CID 126887938

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3c(C)noc3C)CC2)ncn1
InChIInChI=1S/C16H21N5O3/c1-10-15(11(2)24-20-10)16(22)21-6-4-12(5-7-21)19-13-8-14(23-3)18-9-17-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyUAVIKQJKBHJUCX-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.81
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone (PubChem CID 126887938) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
PubChem CID126887938
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)c3c(C)noc3C)CC2)ncn1
InChIInChI=1S/C16H21N5O3/c1-10-15(11(2)24-20-10)16(22)21-6-4-12(5-7-21)19-13-8-14(23-3)18-9-17-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,19)
InChIKeyUAVIKQJKBHJUCX-UHFFFAOYSA-N
XLogP1.81
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 56778514
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
(5-tert-butyl-1H-pyrazol-3-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126888003
N-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446266
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757149
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171336207
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
3,4-dihydro-1H-isochromen-1-yl-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887984
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342013

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone (CID 126887938) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone is COc1cc(NC2CCN(C(=O)c3c(C)noc3C)CC2)ncn1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
The InChIKey is UAVIKQJKBHJUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-15(11(2)24-20-10)16(22)21-6-4-12(5-7-21)19-13-8-14(23-3)18-9-17-13/h8-9,12H,4-7H2,1-3H3,(H,17,18,19).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone has a molecular weight of 331.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126887938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).