(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

C15H23N3O2 — CID 170505691

IUPAC(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)C1(N)CCCC1)C2
InChIInChI=1S/C15H23N3O2/c1-10(2)13-17-11-9-18(8-5-12(11)20-13)14(19)15(16)6-3-4-7-15/h10H,3-9,16H2,1-2H3
InChIKeyJMNNVDKBVAERAG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.95
Rot. Bonds2

About (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone

(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 170505691) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID170505691
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
SMILESCC(C)c1nc2c(o1)CCN(C(=O)C1(N)CCCC1)C2
InChIInChI=1S/C15H23N3O2/c1-10(2)13-17-11-9-18(8-5-12(11)20-13)14(19)15(16)6-3-4-7-15/h10H,3-9,16H2,1-2H3
InChIKeyJMNNVDKBVAERAG-UHFFFAOYSA-N
XLogP1.95
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 170505691) is (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is CC(C)c1nc2c(o1)CCN(C(=O)C1(N)CCCC1)C2.
What is the InChIKey of (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JMNNVDKBVAERAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)13-17-11-9-18(8-5-12(11)20-13)14(19)15(16)6-3-4-7-15/h10H,3-9,16H2,1-2H3.
What are the key properties of (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopentyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 170505691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).