1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one

C20H34N4O3 — CID 110611630

IUPAC1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1
InChIInChI=1S/C20H34N4O3/c1-7-22(8-2)10-9-16(25)23-11-13-24(14-12-23)19(26)17-15(3)27-21-18(17)20(4,5)6/h7-14H2,1-6H3
InChIKeyNHLNWLZCKRQSMW-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.30
Rot. Bonds6

About 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one

1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one (PubChem CID 110611630) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one
PubChem CID110611630
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one
SMILESCCN(CC)CCC(=O)N1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1
InChIInChI=1S/C20H34N4O3/c1-7-22(8-2)10-9-16(25)23-11-13-24(14-12-23)19(26)17-15(3)27-21-18(17)20(4,5)6/h7-14H2,1-6H3
InChIKeyNHLNWLZCKRQSMW-UHFFFAOYSA-N
XLogP2.30
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(diethylamino)-1-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603433
(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110608362
3-tert-butyl-5-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1,2-oxazole-4-carboxamide
CID 110609669
1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl-(3-tert-butyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 110629475
tert-butyl 4-[[(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]methyl]piperidine-1-carboxylate
CID 110606987
4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
CID 38725800
4-[3-(diethylamino)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110422402
1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611618
3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]propanoic acid
CID 43522115
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085623
3-(diethylamino)-1-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 110619816
3-tert-butyl-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110424770

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one?
The IUPAC name of 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one (CID 110611630) is 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one.
What is the SMILES notation for 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one?
The canonical SMILES for 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one is CCN(CC)CCC(=O)N1CCN(C(=O)c2c(C(C)(C)C)noc2C)CC1.
What is the InChIKey of 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one?
The InChIKey is NHLNWLZCKRQSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-7-22(8-2)10-9-16(25)23-11-13-24(14-12-23)19(26)17-15(3)27-21-18(17)20(4,5)6/h7-14H2,1-6H3.
What are the key properties of 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one?
1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one has a molecular weight of 378.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-3-(diethylamino)propan-1-one is sourced from PubChem (CID 110611630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).