1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

C17H16FN5O3 — CID 170081448

IUPAC1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(N)cn2)c1NC(=O)OC(C)c1cccnc1F
InChIInChI=1S/C17H16FN5O3/c1-9-14(15(26-23-9)13-6-5-11(19)8-21-13)22-17(24)25-10(2)12-4-3-7-20-16(12)18/h3-8,10H,19H2,1-2H3,(H,22,24)
InChIKeyKVNZRJOIOHBSDJ-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate

1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (PubChem CID 170081448) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.

Molecular Properties

Compound Name1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
PubChem CID170081448
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate
SMILESCc1noc(-c2ccc(N)cn2)c1NC(=O)OC(C)c1cccnc1F
InChIInChI=1S/C17H16FN5O3/c1-9-14(15(26-23-9)13-6-5-11(19)8-21-13)22-17(24)25-10(2)12-4-3-7-20-16(12)18/h3-8,10H,19H2,1-2H3,(H,22,24)
InChIKeyKVNZRJOIOHBSDJ-UHFFFAOYSA-N
XLogP3.47
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The IUPAC name of 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate (CID 170081448) is 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate.
What is the SMILES notation for 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The canonical SMILES for 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is Cc1noc(-c2ccc(N)cn2)c1NC(=O)OC(C)c1cccnc1F.
What is the InChIKey of 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
The InChIKey is KVNZRJOIOHBSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-9-14(15(26-23-9)13-6-5-11(19)8-21-13)22-17(24)25-10(2)12-4-3-7-20-16(12)18/h3-8,10H,19H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate?
1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate has a molecular weight of 357.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-pyridinyl)ethyl N-[5-(5-amino-2-pyridinyl)-3-methyl-1,2-oxazol-4-yl]carbamate is sourced from PubChem (CID 170081448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).