(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide

C23H17N3O3S — CID 71662422

IUPAC(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1
InChIInChI=1S/C23H17N3O3S/c1-14(28-19-8-4-6-15-5-2-3-7-17(15)19)22(27)25-16-9-10-20-18(11-16)26-23(29-20)21-12-24-13-30-21/h2-14H,1H3,(H,25,27)/t14-/m0/s1
InChIKeyLBUUHNZXSNNMFD-AWEZNQCLSA-N
MW415.47 g/mol
LogP5.51
Rot. Bonds5

About (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide

(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide (PubChem CID 71662422) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide
PubChem CID71662422
Molecular FormulaC23H17N3O3S
Molecular Weight415.47 g/mol
Exact Mass415.10
IUPAC Name(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide
SMILESC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1
InChIInChI=1S/C23H17N3O3S/c1-14(28-19-8-4-6-15-5-2-3-7-17(15)19)22(27)25-16-9-10-20-18(11-16)26-23(29-20)21-12-24-13-30-21/h2-14H,1H3,(H,25,27)/t14-/m0/s1
InChIKeyLBUUHNZXSNNMFD-AWEZNQCLSA-N
XLogP5.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide (CID 71662422) is (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide is C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(-c3cncs3)nc2c1.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide?
The InChIKey is LBUUHNZXSNNMFD-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H17N3O3S/c1-14(28-19-8-4-6-15-5-2-3-7-17(15)19)22(27)25-16-9-10-20-18(11-16)26-23(29-20)21-12-24-13-30-21/h2-14H,1H3,(H,25,27)/t14-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide?
(2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide has a molecular weight of 415.47 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-1-yloxy-N-[2-(1,3-thiazol-5-yl)-1,3-benzoxazol-5-yl]propanamide is sourced from PubChem (CID 71662422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).