N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C18H20N4O2 — CID 71789498

IUPACN-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C18H20N4O2/c1-13-11-14-5-2-3-6-16(14)21(13)9-7-19-17(23)15-12-20-22-8-4-10-24-18(15)22/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyJYDNKZKVUMGXOG-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 71789498) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID71789498
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1cnn2c1OCCC2
InChIInChI=1S/C18H20N4O2/c1-13-11-14-5-2-3-6-16(14)21(13)9-7-19-17(23)15-12-20-22-8-4-10-24-18(15)22/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23)
InChIKeyJYDNKZKVUMGXOG-UHFFFAOYSA-N
XLogP2.36
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 71789498) is N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is Cc1cc2ccccc2n1CCNC(=O)c1cnn2c1OCCC2.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is JYDNKZKVUMGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-11-14-5-2-3-6-16(14)21(13)9-7-19-17(23)15-12-20-22-8-4-10-24-18(15)22/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,19,23).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 71789498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).