4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide

C22H28N4O4 — CID 86869244

IUPAC4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCC3CCCOC3c3ccccc3)CC2)on1
InChIInChI=1S/C22H28N4O4/c1-16-14-19(30-24-16)21(27)25-9-11-26(12-10-25)22(28)23-15-18-8-5-13-29-20(18)17-6-3-2-4-7-17/h2-4,6-7,14,18,20H,5,8-13,15H2,1H3,(H,23,28)
InChIKeyRTWFEZXAOUNJSO-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.62
Rot. Bonds4

About 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide

4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 86869244) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
PubChem CID86869244
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C(=O)N2CCN(C(=O)NCC3CCCOC3c3ccccc3)CC2)on1
InChIInChI=1S/C22H28N4O4/c1-16-14-19(30-24-16)21(27)25-9-11-26(12-10-25)22(28)23-15-18-8-5-13-29-20(18)17-6-3-2-4-7-17/h2-4,6-7,14,18,20H,5,8-13,15H2,1H3,(H,23,28)
InChIKeyRTWFEZXAOUNJSO-UHFFFAOYSA-N
XLogP2.62
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-(furan-2-carbonyl)-N'-methyl-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide
CID 111166065
(3-methyl-1,2-oxazol-5-yl)-(7-phenyl-1,4-oxazepan-4-yl)methanone
CID 138009834
N-[[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 99812603
2,2,6-trimethyl-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide
CID 48634964
(3-methyl-1,2-oxazol-5-yl)-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 94021683
(3-methyl-1,2-oxazol-5-yl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 91946331
methyl 1-[N'-methyl-N-[(2-phenyloxan-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253811
N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 122139331
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 120743708
1-(5-methyl-2-pyridinyl)-3-[[(2S,3S)-2-phenyloxan-3-yl]methyl]urea
CID 129398613
N-ethyl-4-(furan-2-carbonyl)-N'-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166486
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide (CID 86869244) is 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide is Cc1cc(C(=O)N2CCN(C(=O)NCC3CCCOC3c3ccccc3)CC2)on1.
What is the InChIKey of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RTWFEZXAOUNJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-16-14-19(30-24-16)21(27)25-9-11-26(12-10-25)22(28)23-15-18-8-5-13-29-20(18)17-6-3-2-4-7-17/h2-4,6-7,14,18,20H,5,8-13,15H2,1H3,(H,23,28).
What are the key properties of 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide?
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86869244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).