N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide

C8H13N3O2 — CID 121209358

IUPACN-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN)co1
InChIInChI=1S/C8H13N3O2/c1-6-11-7(5-13-6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12)
InChIKeyNVZCBUBHOLURKF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.06
Rot. Bonds4

About N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide

N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 121209358) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID121209358
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN)co1
InChIInChI=1S/C8H13N3O2/c1-6-11-7(5-13-6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12)
InChIKeyNVZCBUBHOLURKF-UHFFFAOYSA-N
XLogP0.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(2,2-dimethoxyethyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 167255120
N-(6-aminohexyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 143192635
N-(azetidin-3-yl)-2-methyl-1,3-oxazole-4-carboxamide
CID 121209353
N-(3-aminopropyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110833086
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
2-methyl-1,3-oxazole-4-carboxamide
CID 10796748
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 3858413
N-(3-aminopropyl)-5-methylpyridazine-3-carboxamide
CID 83617735
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(2-aminoethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 4596847

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide (CID 121209358) is N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCCCN)co1.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is NVZCBUBHOLURKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-11-7(5-13-6)8(12)10-4-2-3-9/h5H,2-4,9H2,1H3,(H,10,12).
What are the key properties of N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide?
N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 121209358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).