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

C18H26N4O2 — CID 93072289

IUPACN-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC[C@H](C)NC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1
InChIInChI=1S/C18H26N4O2/c1-4-14(3)19-18(23)22-9-7-21(8-10-22)12-17-20-15-6-5-13(2)11-16(15)24-17/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyQPHQUDWLPDNHOR-AWEZNQCLSA-N
MW330.43 g/mol
LogP2.76
Rot. Bonds4

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

N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 93072289) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID93072289
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC[C@H](C)NC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1
InChIInChI=1S/C18H26N4O2/c1-4-14(3)19-18(23)22-9-7-21(8-10-22)12-17-20-15-6-5-13(2)11-16(15)24-17/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyQPHQUDWLPDNHOR-AWEZNQCLSA-N
XLogP2.76
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-(2-fluorophenyl)-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53078519
4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 53078522
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 52999925
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
3-methyl-N-[4-[4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]sulfonylphenyl]butanamide
CID 53078484
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113104332
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
N-(3-chloro-2-methylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000017
2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83949597
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 53078506
N-butan-2-yl-4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 113104320
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (CID 93072289) is N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is CC[C@H](C)NC(=O)N1CCN(Cc2nc3ccc(C)cc3o2)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is QPHQUDWLPDNHOR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-14(3)19-18(23)22-9-7-21(8-10-22)12-17-20-15-6-5-13(2)11-16(15)24-17/h5-6,11,14H,4,7-10,12H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 93072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).