(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide

C23H25N3O3 — CID 15423816

IUPAC(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
SMILESCC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](CC)N(c3ccccc3)C(=O)N21
InChIInChI=1S/C23H25N3O3/c1-3-17-15-29-22-20(21(27)24-16-11-7-5-8-12-16)19(4-2)25(23(28)26(17)22)18-13-9-6-10-14-18/h5-14,17,19H,3-4,15H2,1-2H3,(H,24,27)/t17-,19-/m1/s1
InChIKeyIGVCFGUWIMFGFA-IEBWSBKVSA-N
MW391.47 g/mol
LogP4.37
Rot. Bonds5

About (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide

(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide (PubChem CID 15423816) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
PubChem CID15423816
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide
SMILESCC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](CC)N(c3ccccc3)C(=O)N21
InChIInChI=1S/C23H25N3O3/c1-3-17-15-29-22-20(21(27)24-16-11-7-5-8-12-16)19(4-2)25(23(28)26(17)22)18-13-9-6-10-14-18/h5-14,17,19H,3-4,15H2,1-2H3,(H,24,27)/t17-,19-/m1/s1
InChIKeyIGVCFGUWIMFGFA-IEBWSBKVSA-N
XLogP4.37
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The IUPAC name of (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide (CID 15423816) is (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide.
What is the SMILES notation for (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The canonical SMILES for (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide is CC[C@@H]1COC2=C(C(=O)Nc3ccccc3)[C@@H](CC)N(c3ccccc3)C(=O)N21.
What is the InChIKey of (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
The InChIKey is IGVCFGUWIMFGFA-IEBWSBKVSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-3-17-15-29-22-20(21(27)24-16-11-7-5-8-12-16)19(4-2)25(23(28)26(17)22)18-13-9-6-10-14-18/h5-14,17,19H,3-4,15H2,1-2H3,(H,24,27)/t17-,19-/m1/s1.
What are the key properties of (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide?
(3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R)-3,7-diethyl-5-oxo-N,6-diphenyl-3,7-dihydro-2H-[1,3]oxazolo[3,2-c]pyrimidine-8-carboxamide is sourced from PubChem (CID 15423816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).