N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid

C16H20F3N3O4 — CID 118742652

IUPACN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3O2.C2HF3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14;3-2(4,5)1(6)7/h9-10H,1-8H2,(H,15,18);(H,6,7)
InChIKeyMBNUXWGPFOLHNH-UHFFFAOYSA-N
MW375.35 g/mol
LogP2.17
Rot. Bonds5

About N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid

N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118742652) has the molecular formula C16H20F3N3O4 and a molecular weight of 375.35 g/mol. Its IUPAC name is N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118742652
Molecular FormulaC16H20F3N3O4
Molecular Weight375.35 g/mol
Exact Mass375.14
IUPAC NameN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C14H19N3O2.C2HF3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14;3-2(4,5)1(6)7/h9-10H,1-8H2,(H,15,18);(H,6,7)
InChIKeyMBNUXWGPFOLHNH-UHFFFAOYSA-N
XLogP2.17
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 118742652) is N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MBNUXWGPFOLHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.C2HF3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14;3-2(4,5)1(6)7/h9-10H,1-8H2,(H,15,18);(H,6,7).
What are the key properties of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid?
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 375.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).