N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide

C10H15ClN2O2 — CID 162645786

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCl)no1
InChIInChI=1S/C10H15ClN2O2/c1-10(2,3)7-6-8(13-15-7)12-9(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKIVDRPRUWZGKHN-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.54
Rot. Bonds3

About N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide (PubChem CID 162645786) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide
PubChem CID162645786
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide
SMILESCC(C)(C)c1cc(NC(=O)CCCl)no1
InChIInChI=1S/C10H15ClN2O2/c1-10(2,3)7-6-8(13-15-7)12-9(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyKIVDRPRUWZGKHN-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Isouron
CID 41648
Carboxazole
CID 13309592
N-(5-tert-Butyl-1,2-oxazol-3-yl)-2-chloroacetamide
CID 28065541
2,2-dibromo-N-(5-tert-butyl-3-isoxazolyl)-1-methylcyclopropanecarboxamide
CID 4319127
Cyclopropanecarboxamide, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-
CID 156446
1-(5-tert-Butyl-1,2-oxazol-3-yl)-5-chloro-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 164122
Monisouron
CID 186687
N,N-Dimethyl-N'-[5-(propan-2-yl)-1,2-oxazol-3-yl]urea
CID 20534524
Urea, N-(5-(1,1-dimethylethyl)-3-isoxazolyl)-
CID 6453261
ST50938758
CID 757130
3-chloro-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 3581927
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-methylpiperazin-1-yl)propanamide
CID 162644931

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide (CID 162645786) is N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide is CC(C)(C)c1cc(NC(=O)CCCl)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide?
The InChIKey is KIVDRPRUWZGKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2/c1-10(2,3)7-6-8(13-15-7)12-9(14)4-5-11/h6H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide has a molecular weight of 230.69 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-3-chloropropanamide is sourced from PubChem (CID 162645786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).