N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide

C7H12N2O2 — CID 20523757

IUPACN-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC(C)NC(=O)C1=NCCO1
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)7-8-3-4-11-7/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXXHKMDVBWZETDE-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.06
Rot. Bonds2

About N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide

N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide (PubChem CID 20523757) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
PubChem CID20523757
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide
SMILESCC(C)NC(=O)C1=NCCO1
InChIInChI=1S/C7H12N2O2/c1-5(2)9-6(10)7-8-3-4-11-7/h5H,3-4H2,1-2H3,(H,9,10)
InChIKeyXXHKMDVBWZETDE-UHFFFAOYSA-N
XLogP-0.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-N-(propan-2-yl)acetamide
CID 19353620
2-methoxy-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 11228960
2-ethoxy-N-propan-2-ylacetamide
CID 4303110
2-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-propan-2-ylacetamide
CID 13126649
N-ethyl-2-propoxyacetamide
CID 17780850
N-methyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523769
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776
N-ethyl-4,4-dimethyl-5H-1,3-oxazole-2-carboxamide
CID 20523777
N-butyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523781
N-pentyl-4,5-dihydro-1,3-oxazole-2-carboxamide
CID 20523784
N-ethyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523794
N-propyl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523829

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The IUPAC name of N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide (CID 20523757) is N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide is CC(C)NC(=O)C1=NCCO1.
What is the InChIKey of N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide?
The InChIKey is XXHKMDVBWZETDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5(2)9-6(10)7-8-3-4-11-7/h5H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide?
N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide has a molecular weight of 156.19 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4,5-dihydro-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 20523757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).