N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide

C9H15N3O2 — CID 83619478

IUPACN-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(C)CN
InChIInChI=1S/C9H15N3O2/c1-6(3-10)4-11-9(13)8-7(2)12-5-14-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyWNHKWKTXQSSHFA-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.31
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 83619478) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID83619478
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NCC(C)CN
InChIInChI=1S/C9H15N3O2/c1-6(3-10)4-11-9(13)8-7(2)12-5-14-8/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyWNHKWKTXQSSHFA-UHFFFAOYSA-N
XLogP0.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-2-methyl-1,3-oxazole-5-carboxamide
CID 83619463
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
N-(3-amino-2-methylpropyl)-4-methylbenzamide
CID 62668533
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-(azetidin-3-ylmethyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 127017043
4-methyl-N-pent-3-ynyl-1,3-oxazole-5-carboxamide
CID 104581007
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364372
N-[[1-(chloromethyl)cyclopentyl]methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 115364085
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-(3-amino-2-methylpropyl)-4-chlorobenzamide;hydrochloride
CID 119996366
N-[(2-chlorocyclopentyl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 114303022

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 83619478) is N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NCC(C)CN.
What is the InChIKey of N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is WNHKWKTXQSSHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(3-10)4-11-9(13)8-7(2)12-5-14-8/h5-6H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 197.24 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 83619478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).