4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C16H26N4O3 — CID 75527444

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1noc(C)c1CN1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H26N4O3/c1-12-15(13(2)23-18-12)11-19-5-7-20(8-6-19)16(21)17-10-14-4-3-9-22-14/h14H,3-11H2,1-2H3,(H,17,21)
InChIKeyRXKURWKVSRABKI-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.30
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 75527444) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID75527444
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1noc(C)c1CN1CCN(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C16H26N4O3/c1-12-15(13(2)23-18-12)11-19-5-7-20(8-6-19)16(21)17-10-14-4-3-9-22-14/h14H,3-11H2,1-2H3,(H,17,21)
InChIKeyRXKURWKVSRABKI-UHFFFAOYSA-N
XLogP1.30
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9363431
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 53078522
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 2536445
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 75527445
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 71867396
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119857152

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 75527444) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is Cc1noc(C)c1CN1CCN(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is RXKURWKVSRABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12-15(13(2)23-18-12)11-19-5-7-20(8-6-19)16(21)17-10-14-4-3-9-22-14/h14H,3-11H2,1-2H3,(H,17,21).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75527444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).