(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone

C22H30N4O2 — CID 143251826

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone
SMILESC/C=C\c1c(N(C)C2CN(C(=O)c3c(C)noc3C)CC[C@H]2C)ccnc1C
InChIInChI=1S/C22H30N4O2/c1-7-8-18-15(3)23-11-9-19(18)25(6)20-13-26(12-10-14(20)2)22(27)21-16(4)24-28-17(21)5/h7-9,11,14,20H,10,12-13H2,1-6H3/b8-7-/t14-,20?/m1/s1
InChIKeyVVXZINHNWOKZDN-WJSPTYMUSA-N
MW382.51 g/mol
LogP4.01
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone (PubChem CID 143251826) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone
PubChem CID143251826
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone
SMILESC/C=C\c1c(N(C)C2CN(C(=O)c3c(C)noc3C)CC[C@H]2C)ccnc1C
InChIInChI=1S/C22H30N4O2/c1-7-8-18-15(3)23-11-9-19(18)25(6)20-13-26(12-10-14(20)2)22(27)21-16(4)24-28-17(21)5/h7-9,11,14,20H,10,12-13H2,1-6H3/b8-7-/t14-,20?/m1/s1
InChIKeyVVXZINHNWOKZDN-WJSPTYMUSA-N
XLogP4.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methanone
CID 163347120
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105652
(4-amino-3,3-dimethylpiperidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 120817861
(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)-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 110104637
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
N-[(4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylpiperidin-3-yl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59659125
(3R,4R)-4-methyl-N-(4-methylphenyl)-3-[methyl(1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidine-1-carboxamide
CID 66662880
(2R)-1-acetyl-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-2-carboxamide
CID 125024247
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methanone
CID 97189613
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone (CID 143251826) is (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone is C/C=C\c1c(N(C)C2CN(C(=O)c3c(C)noc3C)CC[C@H]2C)ccnc1C.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone?
The InChIKey is VVXZINHNWOKZDN-WJSPTYMUSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-7-8-18-15(3)23-11-9-19(18)25(6)20-13-26(12-10-14(20)2)22(27)21-16(4)24-28-17(21)5/h7-9,11,14,20H,10,12-13H2,1-6H3/b8-7-/t14-,20?/m1/s1.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[(4R)-4-methyl-3-[methyl-[2-methyl-3-[(Z)-prop-1-enyl]-4-pyridinyl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 143251826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).