N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide

C15H16FN3O3 — CID 97406042

IUPACN-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
SMILESCOCc1nc2c(o1)CN(C(=O)NCc1cccc(F)c1)C2
InChIInChI=1S/C15H16FN3O3/c1-21-9-14-18-12-7-19(8-13(12)22-14)15(20)17-6-10-3-2-4-11(16)5-10/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyWVZSPTUPZZVFNW-UHFFFAOYSA-N
MW305.31 g/mol
LogP2.19
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide

N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide (PubChem CID 97406042) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
PubChem CID97406042
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
SMILESCOCc1nc2c(o1)CN(C(=O)NCc1cccc(F)c1)C2
InChIInChI=1S/C15H16FN3O3/c1-21-9-14-18-12-7-19(8-13(12)22-14)15(20)17-6-10-3-2-4-11(16)5-10/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyWVZSPTUPZZVFNW-UHFFFAOYSA-N
XLogP2.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide (CID 97406042) is N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide is COCc1nc2c(o1)CN(C(=O)NCc1cccc(F)c1)C2.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
The InChIKey is WVZSPTUPZZVFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-21-9-14-18-12-7-19(8-13(12)22-14)15(20)17-6-10-3-2-4-11(16)5-10/h2-5H,6-9H2,1H3,(H,17,20).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide is sourced from PubChem (CID 97406042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).