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

C15H16ClN3O2 — CID 169421958

IUPAC(3-chloro-4-pyridinyl)-(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)c1ccncc1Cl)C2
InChIInChI=1S/C15H16ClN3O2/c1-9(2)14-18-12-8-19(6-4-13(12)21-14)15(20)10-3-5-17-7-11(10)16/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyJHHSOLDQJUQHHQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.04
Rot. Bonds2

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

(3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 169421958) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID169421958
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(3-chloro-4-pyridinyl)-(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)c1ccncc1Cl)C2
InChIInChI=1S/C15H16ClN3O2/c1-9(2)14-18-12-8-19(6-4-13(12)21-14)15(20)10-3-5-17-7-11(10)16/h3,5,7,9H,4,6,8H2,1-2H3
InChIKeyJHHSOLDQJUQHHQ-UHFFFAOYSA-N
XLogP3.04
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone (CID 169421958) is (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (3-chloro-4-pyridinyl)-(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)c1ccncc1Cl)C2.
What is the InChIKey of (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is JHHSOLDQJUQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9(2)14-18-12-8-19(6-4-13(12)21-14)15(20)10-3-5-17-7-11(10)16/h3,5,7,9H,4,6,8H2,1-2H3.
What are the key properties of (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone?
(3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 305.76 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 169421958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).