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

C17H18FN3O2 — CID 97442810

IUPAC5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2c(o1)CN(CC1CC1)C2
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-2-12(6-13)7-19-16(22)17-20-14-9-21(8-11-4-5-11)10-15(14)23-17/h1-3,6,11H,4-5,7-10H2,(H,19,22)
InChIKeyBAMSYWQVGDLYRH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.47
Rot. Bonds5

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

5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97442810) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97442810
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCc1cccc(F)c1)c1nc2c(o1)CN(CC1CC1)C2
InChIInChI=1S/C17H18FN3O2/c18-13-3-1-2-12(6-13)7-19-16(22)17-20-14-9-21(8-11-4-5-11)10-15(14)23-17/h1-3,6,11H,4-5,7-10H2,(H,19,22)
InChIKeyBAMSYWQVGDLYRH-UHFFFAOYSA-N
XLogP2.47
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97442810) is 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NCc1cccc(F)c1)c1nc2c(o1)CN(CC1CC1)C2.
What is the InChIKey of 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is BAMSYWQVGDLYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-3-1-2-12(6-13)7-19-16(22)17-20-14-9-21(8-11-4-5-11)10-15(14)23-17/h1-3,6,11H,4-5,7-10H2,(H,19,22).
What are the key properties of 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 97442810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).