[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

C16H20N4O4 — CID 136580979

IUPAC[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C[C@@H](C)N(C(=O)c2ncoc2C)[C@@H](C)C1
InChIInChI=1S/C16H20N4O4/c1-9-5-19(15(21)13-11(3)23-7-17-13)6-10(2)20(9)16(22)14-12(4)24-8-18-14/h7-10H,5-6H2,1-4H3/t9-,10+
InChIKeyQBNDRZATFONHHA-AOOOYVTPSA-N
MW332.36 g/mol
LogP1.65
Rot. Bonds2

About [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone

[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (PubChem CID 136580979) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
PubChem CID136580979
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
SMILESCc1ocnc1C(=O)N1C[C@@H](C)N(C(=O)c2ncoc2C)[C@@H](C)C1
InChIInChI=1S/C16H20N4O4/c1-9-5-19(15(21)13-11(3)23-7-17-13)6-10(2)20(9)16(22)14-12(4)24-8-18-14/h7-10H,5-6H2,1-4H3/t9-,10+
InChIKeyQBNDRZATFONHHA-AOOOYVTPSA-N
XLogP1.65
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone with MolForge

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Related Compounds

1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70758906
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
5-methyl-N-({1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl}methyl)-1,3-oxazole-4-carboxamide
CID 118772730
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120812394
5-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 120812395
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 128974052
N-[1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989542
N-[(3R,6R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491790
N-[(3S,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491791
N-[(3S,6R)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491792
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone (CID 136580979) is [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is Cc1ocnc1C(=O)N1C[C@@H](C)N(C(=O)c2ncoc2C)[C@@H](C)C1.
What is the InChIKey of [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
The InChIKey is QBNDRZATFONHHA-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-9-5-19(15(21)13-11(3)23-7-17-13)6-10(2)20(9)16(22)14-12(4)24-8-18-14/h7-10H,5-6H2,1-4H3/t9-,10+.
What are the key properties of [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone?
[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone has a molecular weight of 332.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 136580979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).