(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C20H21N3O5 — CID 99745350

IUPAC(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc([C@@H]2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25)/t18-/m0/s1
InChIKeyDGHUTKWYSWHXAF-SFHVURJKSA-N
MW383.40 g/mol
LogP2.77
Rot. Bonds5

About (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 99745350) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID99745350
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCCOc1ccc([C@@H]2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25)/t18-/m0/s1
InChIKeyDGHUTKWYSWHXAF-SFHVURJKSA-N
XLogP2.77
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione with MolForge

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Related Compounds

3-(4-Isopropoxyphenyl)-3-{[(5-methyl-3-phenylisoxazol-4-yl)carbonyl]amino}propanoic acid
CID 3245669
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(oxolan-2-ylmethyl)benzamide
CID 4883236
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
CID 168271655
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide
CID 9441147
(1R,5S)-methyl 3-(3,5-dimethylisoxazol-4-yl)-8-(furan-2-ylmethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068215
(1R,5S)-methyl 8-(2-(2-chlorophenoxy)ethylcarbamoyl)-3-(3,5-dimethylisoxazol-4-yl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068325
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxyethyl)benzamide
CID 40210052
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 2434486
(1R,5S)-methyl 8-(benzo[d][1,3]dioxol-5-ylmethylcarbamoyl)-3-(3,5-dimethylisoxazol-4-yl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068265
(1R,5S)-methyl 3-(3,5-dimethylisoxazol-4-yl)-8-(2-phenoxyethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068324
(1R,5S)-methyl 3-(3,5-dimethylisoxazol-4-yl)-8-(2-(4-methoxyphenoxy)ethylcarbamoyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
CID 25068326
2-methylpropyl N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]carbamate
CID 51050831

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 99745350) is (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is CCOc1ccc([C@@H]2NC(=O)N(Cc3c(C)noc3C)C3=C2C(=O)OC3)cc1.
What is the InChIKey of (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is DGHUTKWYSWHXAF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-4-26-14-7-5-13(6-8-14)18-17-16(10-27-19(17)24)23(20(25)21-18)9-15-11(2)22-28-12(15)3/h5-8,18H,4,9-10H2,1-3H3,(H,21,25)/t18-/m0/s1.
What are the key properties of (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
(4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 383.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(4-ethoxyphenyl)-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 99745350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).