N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide

C18H24N4O4 — CID 110812839

IUPACN-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)11-19-16(24)22-8-6-21(7-9-22)15(23)12-4-5-14-13(10-12)20-17(25)26-14/h4-5,10H,6-9,11H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyODVCJGUIELPGGP-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.63
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide

N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide (PubChem CID 110812839) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide
PubChem CID110812839
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C18H24N4O4/c1-18(2,3)11-19-16(24)22-8-6-21(7-9-22)15(23)12-4-5-14-13(10-12)20-17(25)26-14/h4-5,10H,6-9,11H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyODVCJGUIELPGGP-UHFFFAOYSA-N
XLogP1.63
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
5-(piperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 82062834
4-(3,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110810845
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400122
4-(3,4-dimethylbenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811542
4-(3-chlorobenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811621
6-(4-butanoylpiperazine-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110400115
5-[4-[(1R,2R)-2-hydroxycycloheptyl]piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 167868688
4-(3-chloro-4-fluorobenzoyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813653
6-[4-(2-phenylacetyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400141
4-(3,4-dihydro-2H-chromene-6-carbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110813648
N,N-diethyl-4-(2-oxo-3H-1,3-benzoxazole-6-carbonyl)piperazine-1-carboxamide
CID 110400164

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide (CID 110812839) is N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide is CC(C)(C)CNC(=O)N1CCN(C(=O)c2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide?
The InChIKey is ODVCJGUIELPGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2,3)11-19-16(24)22-8-6-21(7-9-22)15(23)12-4-5-14-13(10-12)20-17(25)26-14/h4-5,10H,6-9,11H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(2-oxo-3H-1,3-benzoxazole-5-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).