N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

C24H30N4O2 — CID 53085292

IUPACN-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C24H30N4O2/c1-18(2)10-11-25-24(29)28-14-12-27(13-15-28)17-23-26-21-16-20(8-9-22(21)30-23)19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyYRDNRVGLJUJZFQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.37
Rot. Bonds6

About N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide

N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 53085292) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID53085292
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1
InChIInChI=1S/C24H30N4O2/c1-18(2)10-11-25-24(29)28-14-12-27(13-15-28)17-23-26-21-16-20(8-9-22(21)30-23)19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,25,29)
InChIKeyYRDNRVGLJUJZFQ-UHFFFAOYSA-N
XLogP4.37
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085289
3-methylbutylcarbamoyl N-[2-hydroxy-2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]carbamate
CID 57179352
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 52999925
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
N-(3,4-dimethylphenyl)-4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53000002
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
N-[(2S)-butan-2-yl]-4-[(6-methyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 93072289
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopentylpiperazine-1-carboxamide
CID 53078498
4-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113109976
ethyl 2-[[4-[[5-(diethylcarbamoyl)-1,3-benzoxazol-2-yl]methyl]piperazine-1-carbonyl]amino]acetate
CID 46383314
4-(1,3-benzoxazol-2-ylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 52999881

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide (CID 53085292) is N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is CC(C)CCNC(=O)N1CCN(Cc2nc3cc(-c4ccccc4)ccc3o2)CC1.
What is the InChIKey of N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is YRDNRVGLJUJZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)10-11-25-24(29)28-14-12-27(13-15-28)17-23-26-21-16-20(8-9-22(21)30-23)19-6-4-3-5-7-19/h3-9,16,18H,10-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide?
N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53085292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).