4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C19H26N4O3 — CID 53078522

IUPAC4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc2nc(CN3CCN(C(=O)NCC4CCCO4)CC3)oc2c1
InChIInChI=1S/C19H26N4O3/c1-14-4-5-16-17(11-14)26-18(21-16)13-22-6-8-23(9-7-22)19(24)20-12-15-3-2-10-25-15/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,20,24)
InChIKeyMQFLIUHFINVXFE-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.14
Rot. Bonds4

About 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide

4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 53078522) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID53078522
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESCc1ccc2nc(CN3CCN(C(=O)NCC4CCCO4)CC3)oc2c1
InChIInChI=1S/C19H26N4O3/c1-14-4-5-16-17(11-14)26-18(21-16)13-22-6-8-23(9-7-22)19(24)20-12-15-3-2-10-25-15/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,20,24)
InChIKeyMQFLIUHFINVXFE-UHFFFAOYSA-N
XLogP2.14
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 75527444
N-(oxolan-2-ylmethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185585
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 52999925
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carboxamide
CID 94017263
4-[(2-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105538
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
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-[2-(cyclohexen-1-yl)ethyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113104669
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357
2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41084350

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 53078522) is 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is Cc1ccc2nc(CN3CCN(C(=O)NCC4CCCO4)CC3)oc2c1.
What is the InChIKey of 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is MQFLIUHFINVXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-14-4-5-16-17(11-14)26-18(21-16)13-22-6-8-23(9-7-22)19(24)20-12-15-3-2-10-25-15/h4-5,11,15H,2-3,6-10,12-13H2,1H3,(H,20,24).
What are the key properties of 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 53078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).