N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide

C21H20N6O2 — CID 118025611

IUPACN-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccccc2o1)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20N6O2/c28-20(14-6-1-3-10-18(14)27-22-12-13-23-27)24-15-8-5-9-16(15)25-21-26-17-7-2-4-11-19(17)29-21/h1-4,6-7,10-13,15-16H,5,8-9H2,(H,24,28)(H,25,26)/t15-,16-/m0/s1
InChIKeyBYPDPBCQZDTPSH-HOTGVXAUSA-N
MW388.43 g/mol
LogP3.17
Rot. Bonds5

About N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide

N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide (PubChem CID 118025611) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
PubChem CID118025611
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide
SMILESO=C(N[C@H]1CCC[C@@H]1Nc1nc2ccccc2o1)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20N6O2/c28-20(14-6-1-3-10-18(14)27-22-12-13-23-27)24-15-8-5-9-16(15)25-21-26-17-7-2-4-11-19(17)29-21/h1-4,6-7,10-13,15-16H,5,8-9H2,(H,24,28)(H,25,26)/t15-,16-/m0/s1
InChIKeyBYPDPBCQZDTPSH-HOTGVXAUSA-N
XLogP3.17
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide (CID 118025611) is N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide is O=C(N[C@H]1CCC[C@@H]1Nc1nc2ccccc2o1)c1ccccc1-n1nccn1.
What is the InChIKey of N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
The InChIKey is BYPDPBCQZDTPSH-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-20(14-6-1-3-10-18(14)27-22-12-13-23-27)24-15-8-5-9-16(15)25-21-26-17-7-2-4-11-19(17)29-21/h1-4,6-7,10-13,15-16H,5,8-9H2,(H,24,28)(H,25,26)/t15-,16-/m0/s1.
What are the key properties of N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide?
N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide has a molecular weight of 388.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-(1,3-benzoxazol-2-ylamino)cyclopentyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118025611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).