N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

C17H28N4O3 — CID 99830188

IUPACN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1=O
InChIInChI=1S/C17H28N4O3/c1-5-7-20-8-6-9-21(11-15(20)22)17(23)18-10-12(2)16-13(3)19-24-14(16)4/h12H,5-11H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyFXACTBWPYPHGIG-LBPRGKRZSA-N
MW336.44 g/mol
LogP2.05
Rot. Bonds5

About N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide

N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (PubChem CID 99830188) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
PubChem CID99830188
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
SMILESCCCN1CCCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1=O
InChIInChI=1S/C17H28N4O3/c1-5-7-20-8-6-9-21(11-15(20)22)17(23)18-10-12(2)16-13(3)19-24-14(16)4/h12H,5-11H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyFXACTBWPYPHGIG-LBPRGKRZSA-N
XLogP2.05
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide with MolForge

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Related Compounds

N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
4-ethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-oxo-1,4-diazepane-1-carboxamide
CID 119044445
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
4-[(3-oxo-4-propyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122022698
N-[(2R,3R)-3-morpholin-4-ylbutan-2-yl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 124622042
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
(2R)-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 125141643
(2S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 99833118
N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]spiro[2H-indole-3,1'-cyclobutane]-1-carboxamide
CID 129352978
1-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 97240369
(3S)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97240484
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide (CID 99830188) is N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is CCCN1CCCN(C(=O)NC[C@H](C)c2c(C)noc2C)CC1=O.
What is the InChIKey of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
The InChIKey is FXACTBWPYPHGIG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-5-7-20-8-6-9-21(11-15(20)22)17(23)18-10-12(2)16-13(3)19-24-14(16)4/h12H,5-11H2,1-4H3,(H,18,23)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide?
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 99830188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).