N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride

C25H31ClF2N4O5 — CID 174786991

About N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride

N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride (PubChem CID 174786991) has the molecular formula C25H31ClF2N4O5 and a molecular weight of 541.00 g/mol. Its IUPAC name is N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride
• PubChem CID: 174786991
• Molecular Formula: C25H31ClF2N4O5
• Molecular Weight: 541.00 g/mol
• Exact Mass: 540.20
• IUPAC Name: N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride
• SMILES: C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N1CC[C@@H](NC(=O)C2CC2)C1.Cl
• InChI: InChI=1S/C25H30F2N4O5.ClH/c1-13(28)21-20(24(33)31-9-8-17(11-31)29-22(32)15-4-5-15)30-23(36-21)16-6-7-18(35-25(26)27)19(10-16)34-12-14-2-3-14;/h6-7,10,13-15,17,25H,2-5,8-9,11-12,28H2,1H3,(H,29,32);1H/t13-,17+;/m0./s1
• InChIKey: QIIQOVREFUCNCR-OZIFAFRSSA-N
• XLogP: 3.91
• TPSA: 119.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.00
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride?

The IUPAC name of N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride (CID 174786991) is N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride.

What is the SMILES notation for N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride?

The canonical SMILES for N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride is C[C@H](N)c1oc(-c2ccc(OC(F)F)c(OCC3CC3)c2)nc1C(=O)N1CC[C@@H](NC(=O)C2CC2)C1.Cl.

What is the InChIKey of N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride?

The InChIKey is QIIQOVREFUCNCR-OZIFAFRSSA-N. The full InChI is InChI=1S/C25H30F2N4O5.ClH/c1-13(28)21-20(24(33)31-9-8-17(11-31)29-22(32)15-4-5-15)30-23(36-21)16-6-7-18(35-25(26)27)19(10-16)34-12-14-2-3-14;/h6-7,10,13-15,17,25H,2-5,8-9,11-12,28H2,1H3,(H,29,32);1H/t13-,17+;/m0./s1.

What are the key properties of N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride?

N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 541.00 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[5-[(1S)-1-aminoethyl]-2-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 174786991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).