(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide

C14H14N4O2 — CID 110837878

IUPAC(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnco1
InChIInChI=1S/C14H14N4O2/c15-11(14(19)18-13-7-16-8-20-13)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,11,17H,5,15H2,(H,18,19)/t11-/m0/s1
InChIKeyKNSCCYFQAGOEAL-NSHDSACASA-N
MW270.29 g/mol
LogP1.66
Rot. Bonds4

About (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide

(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide (PubChem CID 110837878) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
PubChem CID110837878
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide
SMILESN[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnco1
InChIInChI=1S/C14H14N4O2/c15-11(14(19)18-13-7-16-8-20-13)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,11,17H,5,15H2,(H,18,19)/t11-/m0/s1
InChIKeyKNSCCYFQAGOEAL-NSHDSACASA-N
XLogP1.66
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide (CID 110837878) is (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnco1.
What is the InChIKey of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide?
The InChIKey is KNSCCYFQAGOEAL-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N4O2/c15-11(14(19)18-13-7-16-8-20-13)5-9-6-17-12-4-2-1-3-10(9)12/h1-4,6-8,11,17H,5,15H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide?
(2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide has a molecular weight of 270.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-indol-3-yl)-N-(1,3-oxazol-5-yl)propanamide is sourced from PubChem (CID 110837878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).