N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C11H17ClN2O2 — CID 114305863

IUPACN-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)CCCCl)o1
InChIInChI=1S/C11H17ClN2O2/c1-7(5-4-6-12)13-11(15)10-8(2)14-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyZJTJBUZZRVESCF-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.43
Rot. Bonds5

About N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 114305863) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID114305863
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC(C)CCCCl)o1
InChIInChI=1S/C11H17ClN2O2/c1-7(5-4-6-12)13-11(15)10-8(2)14-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,15)
InChIKeyZJTJBUZZRVESCF-UHFFFAOYSA-N
XLogP2.43
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.43
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

N-(1-chloropropan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114299594
N-(1-chloro-4-methylpentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114300930
N-(2-chloropropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114296555
(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]hexanedioic acid
CID 107831662
N-(5-chloropentan-2-yl)-2,4,5-trimethylfuran-3-carboxamide
CID 114305810
N-(1-bromobutan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114307729
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676
N-(3-bromo-2-methylpropyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114313428
(2S)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 81362291
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
N-(1-chloro-3-methylpentan-3-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 106168237
N-(2-methoxyethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684796

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 114305863) is N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC(C)CCCCl)o1.
What is the InChIKey of N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is ZJTJBUZZRVESCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O2/c1-7(5-4-6-12)13-11(15)10-8(2)14-9(3)16-10/h7H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 244.72 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentan-2-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 114305863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).