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

C14H19N3O2 — CID 97407305

IUPACN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2
InChIInChI=1S/C14H19N3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14/h9-10H,1-8H2,(H,15,18)
InChIKeyOKGRHBUNHHNZFH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds5

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

N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (PubChem CID 97407305) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
PubChem CID97407305
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide
SMILESO=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2
InChIInChI=1S/C14H19N3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14/h9-10H,1-8H2,(H,15,18)
InChIKeyOKGRHBUNHHNZFH-UHFFFAOYSA-N
XLogP1.54
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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?
The IUPAC name of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide (CID 97407305) is N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide.
What is the SMILES notation for N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The canonical SMILES for N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide is O=C(NCC1CC1)c1nc2c(o1)CN(CC1CC1)C2.
What is the InChIKey of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
The InChIKey is OKGRHBUNHHNZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(15-5-9-1-2-9)14-16-11-7-17(6-10-3-4-10)8-12(11)19-14/h9-10H,1-8H2,(H,15,18).
What are the key properties of N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide?
N,5-bis(cyclopropylmethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 97407305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).