(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide

C7H12N2O2 — CID 14176422

IUPAC(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC[C@H]1OC=N[C@H]1C(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-5-6(8-4-11-5)7(10)9(2)3/h4-6H,1-3H3/t5-,6-/m1/s1
InChIKeyXQTBYEHZBVSHRW-PHDIDXHHSA-N
MW156.18 g/mol
LogP-0.11
Rot. Bonds1

About (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide

(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 14176422) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID14176422
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESC[C@H]1OC=N[C@H]1C(=O)N(C)C
InChIInChI=1S/C7H12N2O2/c1-5-6(8-4-11-5)7(10)9(2)3/h4-6H,1-3H3/t5-,6-/m1/s1
InChIKeyXQTBYEHZBVSHRW-PHDIDXHHSA-N
XLogP-0.11
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 14176422) is (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide is C[C@H]1OC=N[C@H]1C(=O)N(C)C.
What is the InChIKey of (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is XQTBYEHZBVSHRW-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-6(8-4-11-5)7(10)9(2)3/h4-6H,1-3H3/t5-,6-/m1/s1.
What are the key properties of (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide?
(4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 156.18 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-N,N,5-trimethyl-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 14176422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).